SCHEMBL1067770

SCHEMBL1067770

COc1cccc(OC2=CC(=O)N(C(CC3CCCCC3)C(=O)OC)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.37
CTSD P07339 1/20 0.37
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GCK P35557 1/20 0.36
TP53 P04637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1067765 1.00 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19SMN1; SMN2CTSL
SCHEMBL1063321 0.92 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19SMN1; SMN2CTSL
SCHEMBL1063323 0.92 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19SMN1; SMN2CTSL
SCHEMBL1067573 0.91 MEN1 (0.40) CYP2C19SMN1; SMN2CTSLCTSSMEN1
SCHEMBL1067576 0.91 MEN1 (0.40) CYP2C19SMN1; SMN2CTSLCTSSMEN1
SCHEMBL2702146 0.91 MEN1 (0.37) CTSLCTSSMEN1KMT2APOLB
SCHEMBL1067904 0.91 MEN1 (0.37) CTSLCTSSMEN1KMT2APOLB
SCHEMBL1064222 0.91 CTSL (0.36) CTSLCTSS
SCHEMBL1064225 0.91 CTSL (0.36) CTSLCTSS
SCHEMBL1066420 0.91 GCK (0.38) CYP3A4CTSSGCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP1A2 1710/4885CYP3A4 2098/4885CYP2C19 1324/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.